ReFlex3D: Refined Flexible Alignment of Molecules Using Shape and Electrostatics
Author:
Affiliation:
1. Cardiovascular and Metabolic Diseases, Innovative Medicines and Early Development, AstraZeneca, Pepparedsleden 1, SE 43183 Mölndal, Sweden
2. Cozchemix Limited, 37 Coniston Way, Macclesfield, Cheshire SK11 7XR, United Kingdom
Publisher
American Chemical Society (ACS)
Subject
Library and Information Sciences,Computer Science Applications,General Chemical Engineering,General Chemistry
Link
https://pubs.acs.org/doi/pdf/10.1021/acs.jcim.7b00618
Reference35 articles.
1. Exploring conformational search protocols for ligand-based virtual screening and 3-D QSAR modeling
2. An alternative method for the alignment of molecular structures: Maximizing electrostatic and steric overlap
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